5-(4-methoxy-2,3-dimethyl-phenyl)-4-methyl-N-naphthalen-1-yl-1,3,4-thiadiazol-4-ium-2-amine chloride

Systemtic Name: 5-(4-methoxy-2,3-dimethyl-phenyl)-4-methyl-N-naphthalen-1-yl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(4-methoxy-2,3-dimethyl-phenyl)-4-methyl-N-(1-naphthyl)-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(4-methoxy-2,3-dimethylphenyl)-4-methyl-N-(1-naphthalenyl)-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(4-methoxy-2,3-dimethylphenyl)-4-methyl-N-naphthalen-1-yl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [5-(4-methoxy-2,3-dimethyl-phenyl)-4-methyl-1,3,4-thiadiazol-4-ium-2-yl]-(1-naphthyl)amine chloride Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C2=[N+](N=C(S2)NC3=CC=CC4=CC=CC=C43)C.[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C2=[N+](N=C(S2)NC3=CC=CC4=CC=CC=C43)C.[Cl-]

InChI

InChI=1S/C22H22N3OS.ClH/c1-14-15(2)20(26-4)13-12-17(14)21-25(3)24-22(27-21)23-19-11-7-9-16-8-5-6-10-18(16)19;/h5-13H,1-4H3,(H,23,24);1H/q+1;/p-1